SCHEMBL3745235

SCHEMBL3745235

COc1ccc(-c2nc(C(F)(F)F)c(C(=O)O)s2)cn1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MKNK1 Q9BUB5 1/20 0.43
▸ MKNK2 Q9HBH9 1/20 0.43
▸ SMN1; SMN2 Q16637 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ RAB9A P51151 2/20 0.42
▸ NPC1 O15118 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP19A1 P11511 2/20 0.41
▸ PPARD Q03181 2/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PPARA Q07869 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ PIK3CG P48736 1/20 0.41
▸ PRKAG1 P54619 1/20 0.41
▸ PRKAA1 Q13131 1/20 0.41
▸ PRKAB1 Q9Y478 1/20 0.41
▸ KDR P35968 1/20 0.40
▸ CYP2A6 P11509 2/20 0.40
▸ SLC22A12 Q96S37 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29631171 0.85 KDM4E (0.47) MKNK1MKNK2SMN1; SMN2KDM4ERAB9A
SCHEMBL20894654 0.85 KDM4E (0.47) MKNK1MKNK2SMN1; SMN2KDM4ERAB9A
SCHEMBL16703796 0.77 SMN1; SMN2 (0.49) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL8341574 0.77 SMN1; SMN2 (0.64) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL8338941 0.77 ALDH1A1 (0.54) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL4497703 0.77 SMN1; SMN2 (0.59) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL24303680 0.76 RAB9A (0.48) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL873941 0.76 RAB9A (0.48) SMN1; SMN2KDM4ERAB9ANPC1POLB
SCHEMBL290490 0.75 CYP1A2 (0.53) MKNK1MKNK2SMN1; SMN2KDM4EPOLB
SCHEMBL20894161 0.73 MKNK1 (0.49) MKNK1MKNK2SMN1; SMN2RAB9ANPC1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9133204-B2 5-membered heterocyclic amides and related compounds H. LUNDBECK A/S (DK) 2015-09-15 — — US disclosed
EP-2178865-B1 5-MEMBERED HETEROCYCLIC AMIDES AND RELATED COMPOUNDS LUNDBECK H AS (DK) 2015-08-19 — — EP disclosed
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds MINDIMMUNE THERAPEUTICS, INC. 2015-01-01 — — US disclosed
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds H. LUNDBECK A/S (DK) 2010-11-18 — — US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (2 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20150005293-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MKNK1 3739/4885MKNK2 3274/4885SMN1; SMN2 3228/4885
US-20100292236-A1 5-Membered Heterocyclic Amides And Related Compounds GPR35, HCAR2, HCAR1 MKNK1 3739/4885MKNK2 3274/4885SMN1; SMN2 3228/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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